4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide

C14H20F3NO3 — CID 110883203

IUPAC4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide
SMILESCc1ccc(C(O)(CC(=O)NCCC(C)C)C(F)(F)F)o1
InChIInChI=1S/C14H20F3NO3/c1-9(2)6-7-18-12(19)8-13(20,14(15,16)17)11-5-4-10(3)21-11/h4-5,9,20H,6-8H2,1-3H3,(H,18,19)
InChIKeyACFNZYNEYLWVJU-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.89
Rot. Bonds6

About 4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide

4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide (PubChem CID 110883203) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide
PubChem CID110883203
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide
SMILESCc1ccc(C(O)(CC(=O)NCCC(C)C)C(F)(F)F)o1
InChIInChI=1S/C14H20F3NO3/c1-9(2)6-7-18-12(19)8-13(20,14(15,16)17)11-5-4-10(3)21-11/h4-5,9,20H,6-8H2,1-3H3,(H,18,19)
InChIKeyACFNZYNEYLWVJU-UHFFFAOYSA-N
XLogP2.89
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 110883200
4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
CID 110883224
4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 110883202
(3R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
CID 26006900
4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide
CID 110008785
4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide
CID 110883173
N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide
CID 94021046
N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide
CID 94144374
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide
CID 38789086
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide
CID 111481295
1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea
CID 94050588

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide (CID 110883203) is 4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide is Cc1ccc(C(O)(CC(=O)NCCC(C)C)C(F)(F)F)o1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide?
The InChIKey is ACFNZYNEYLWVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c1-9(2)6-7-18-12(19)8-13(20,14(15,16)17)11-5-4-10(3)21-11/h4-5,9,20H,6-8H2,1-3H3,(H,18,19).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide?
4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide has a molecular weight of 307.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-N-(3-methylbutyl)-3-(5-methylfuran-2-yl)butanamide is sourced from PubChem (CID 110883203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).